N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide

C13H15ClF2N2OS — CID 114627970

IUPACN-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C13H15ClF2N2OS/c14-10-5-8(15)6-11(16)13(10)18-12(19)7-20-9-1-3-17-4-2-9/h5-6,9,17H,1-4,7H2,(H,18,19)
InChIKeyVIVRCYAFOZFKON-UHFFFAOYSA-N
MW320.79 g/mol
LogP3.04
Rot. Bonds4

About N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide

N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627970) has the molecular formula C13H15ClF2N2OS and a molecular weight of 320.79 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627970
Molecular FormulaC13H15ClF2N2OS
Molecular Weight320.79 g/mol
Exact Mass320.06
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C13H15ClF2N2OS/c14-10-5-8(15)6-11(16)13(10)18-12(19)7-20-9-1-3-17-4-2-9/h5-6,9,17H,1-4,7H2,(H,18,19)
InChIKeyVIVRCYAFOZFKON-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628124
N-(4-bromo-2,6-dichlorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626544
N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626532
N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627698
N-(2,6-dichloro-4-fluorophenyl)-3-piperidin-4-yloxypropanamide
CID 83077626
N-(2-chloro-4,6-difluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656524
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626456
N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
CID 60884915
N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 83088271
N-(5-fluoro-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627881
N-(4-chloro-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626741
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide (CID 114627970) is N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is VIVRCYAFOZFKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2OS/c14-10-5-8(15)6-11(16)13(10)18-12(19)7-20-9-1-3-17-4-2-9/h5-6,9,17H,1-4,7H2,(H,18,19).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide?
N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 320.79 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).